(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate

C20H16N2O4S — CID 7906463

IUPAC(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESN#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16N2O4S/c21-12-15-5-7-16(8-6-15)14-26-20(23)13-22-27(24,25)19-10-9-17-3-1-2-4-18(17)11-19/h1-11,22H,13-14H2
InChIKeyZSMFSOCUAAQGEW-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.73
Rot. Bonds6

About (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate

(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 7906463) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID7906463
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESN#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16N2O4S/c21-12-15-5-7-16(8-6-15)14-26-20(23)13-22-27(24,25)19-10-9-17-3-1-2-4-18(17)11-19/h1-11,22H,13-14H2
InChIKeyZSMFSOCUAAQGEW-UHFFFAOYSA-N
XLogP2.73
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523
[4-(trifluoromethyl)phenyl]methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605970
ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725584
(4-pyrazol-1-ylphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 39605961
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679394
N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
CID 142630208
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
(4-methylphenyl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate
CID 7683582
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
2-[(4-cyanophenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)-3-oxopropanoic acid
CID 68507305
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate (CID 7906463) is (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate is N#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is ZSMFSOCUAAQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c21-12-15-5-7-16(8-6-15)14-26-20(23)13-22-27(24,25)19-10-9-17-3-1-2-4-18(17)11-19/h1-11,22H,13-14H2.
What are the key properties of (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate?
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 380.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7906463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).